(2S)-2-Amino-3-(4-{5-[(2S)-2-Amino-2-Carboxyethyl]-2-Hydroxyphenoxy}Phenyl)Propanoic Acid

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Properties Simple | Detailed

Formula C18H20N2O6
IUPAC Name (2s)-2-amino-3-[4-[5-[(2s)-2-amino-2-carboxy-ethyl]-2-hydroxy-phenoxy]phenyl]propanoic acid
Molecular Mass 360.361 g·mol−1
Heat of Formation -962.0 ± 16.7 kJ·mol−1
Dipole Moment 0.72 ± 1.08 D
Volume 409.63 Å 3
Surface Area 331.72 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-keto-propyl]phenoxy]-4-hydroxy-phenyl]propionic acid
  • (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-4-hydroxy-phenyl]propanoic acid
  • (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]-4-hydroxyphenyl]propanoic acid
InChIKey FWZXNPNHUWFOCM-KBPBESRZSA-N
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